[5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol

C10H14N2O2S — CID 153363260

IUPAC[5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol
SMILESCc1sc(N2CC3CC2CO3)nc1CO
InChIInChI=1S/C10H14N2O2S/c1-6-9(4-13)11-10(15-6)12-3-8-2-7(12)5-14-8/h7-8,13H,2-5H2,1H3
InChIKeyDAICAMYFJWMXKC-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.92
Rot. Bonds2

About [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol

[5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 153363260) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol
PubChem CID153363260
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name[5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol
SMILESCc1sc(N2CC3CC2CO3)nc1CO
InChIInChI=1S/C10H14N2O2S/c1-6-9(4-13)11-10(15-6)12-3-8-2-7(12)5-14-8/h7-8,13H,2-5H2,1H3
InChIKeyDAICAMYFJWMXKC-UHFFFAOYSA-N
XLogP0.92
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol (CID 153363260) is [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol is Cc1sc(N2CC3CC2CO3)nc1CO.
What is the InChIKey of [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is DAICAMYFJWMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-9(4-13)11-10(15-6)12-3-8-2-7(12)5-14-8/h7-8,13H,2-5H2,1H3.
What are the key properties of [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol?
[5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 226.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 153363260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).